2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol

C13H23N5O2 — CID 22070341

IUPAC2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol
SMILESOCCNC1CCC(c2ncncn2)C(NCCO)C1
InChIInChI=1S/C13H23N5O2/c19-5-3-15-10-1-2-11(12(7-10)16-4-6-20)13-17-8-14-9-18-13/h8-12,15-16,19-20H,1-7H2
InChIKeyKEUOHTFGWOAFFG-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.96
Rot. Bonds7

About 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol

2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol (PubChem CID 22070341) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol
PubChem CID22070341
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol
SMILESOCCNC1CCC(c2ncncn2)C(NCCO)C1
InChIInChI=1S/C13H23N5O2/c19-5-3-15-10-1-2-11(12(7-10)16-4-6-20)13-17-8-14-9-18-13/h8-12,15-16,19-20H,1-7H2
InChIKeyKEUOHTFGWOAFFG-UHFFFAOYSA-N
XLogP-0.96
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol (CID 22070341) is 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol is OCCNC1CCC(c2ncncn2)C(NCCO)C1.
What is the InChIKey of 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol?
The InChIKey is KEUOHTFGWOAFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c19-5-3-15-10-1-2-11(12(7-10)16-4-6-20)13-17-8-14-9-18-13/h8-12,15-16,19-20H,1-7H2.
What are the key properties of 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol?
2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol has a molecular weight of 281.36 g/mol, XLogP of -0.96, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-hydroxyethylamino)-4-(1,3,5-triazin-2-yl)cyclohexyl]amino]ethanol is sourced from PubChem (CID 22070341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).